(S)-1-(4-Fluorophenyl)ethylamine

Base Information

• Chemical Name: (S)-1-(4-Fluorophenyl)ethylamine
• CAS No.: 66399-30-2
• Molecular Formula: C8H10FN
• Molecular Weight: 139.173
• Hs Code.: 2921490090
• European Community (EC) Number: 679-261-3
• Nikkaji Number: J1.372.615I
• Mol file: 66399-30-2.mol

Synonyms:66399-30-2;(S)-1-(4-Fluorophenyl)ethylamine;(S)-1-(4-fluorophenyl)ethanamine;(1S)-1-(4-fluorophenyl)ethanamine;(S)-(-)-1-(4-Fluorophenyl)Ethylamine;(S)-1-(4-FLUORO-PHENYL)-ETHYLAMINE;(1S)-1-(4-Fluorophenyl)ethylamine;(1S)-1-(4-fluorophenyl)ethan-1-amine;MFCD03092999;SCHEMBL56723;QGCLEUGNYRXBMZ-LURJTMIESA-N;(5)-1-(4-fluorophenyl)ethanamine;AMY37528;CS-D0021;(S)-1-(4-fluoro-phenyl)ethylamine;(S)-1-(4-fluorophenyl)-ethylamine;(s)-p-fluoro-alpha-methylbenzylamine;(S-)-1-(4-fluorophenyl)ethylamine;(S)-4-Fluoro-alpha-methylbenzylamine;4-fluoro-alpha-(S)-methylbenzylamine;(5)-1-(4-fluoro-phenyl)-ethylamine;AKOS015840115;AC-6140;DS-2125;PS-9383;[(1S)-1-(4-fluorophenyl)ethyl]amine;A8959;(S)-1-(4-Fluorophenyl)ethylamine, AldrichCPR;benzenemethanamine, 4-fluoro-a-methyl-, (as)-;EN300-112617;(S)-(-)-1-(4-Fluorophenyl)ethylamine, ChiPros?;J-500389;(S)-4-Fluoro-alpha-methylbenzylamine, ChiPros(R), produced by BASF, 99%

Chemical Property of (S)-1-(4-Fluorophenyl)ethylamine

Chemical Property:

• Vapor Pressure: 0.698mmHg at 25°C
• Melting Point: -30 °C
• Refractive Index: 1.501
• Boiling Point: 185.423 °C at 760 mmHg
• PKA: 8.98±0.10(Predicted)
• Flash Point: 74.03 °C
• PSA: 26.02000
• Density: 1.063 g/cm³
• LogP: 2.54570
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• Solubility.: Miscible with dimethyl sulfoxide.
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.079727485
• Heavy Atom Count: 10
• Complexity: 97.4

Purity/Quality:

99% ^*data from raw suppliers

(S)-1-(4-Fluorophenyl)ethylamine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,N,C
• Statements: 34-51/53-22
• Safety Statements: 26-36/37/39-61-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=C(C=C1)F)N
• Isomeric SMILES: C[C@@H](C1=CC=C(C=C1)F)N
• Uses: (S)-(-)-1-(4-Fluorophenyl)ethylamine is used in organic synthesis. It acts as a ligand and form a coordination complex, diacetato-2-O-bis[(S)-1-(4-fluorophenyl)ethylamine-N]palladium(II) by reacting with palladium(II) acetate.

Technology Process of (S)-1-(4-Fluorophenyl)ethylamine

There total 21 articles about (S)-1-(4-Fluorophenyl)ethylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

(S)-1-phenyl-N-((S)-1-(4-(fluoro)phenyl)ethyl)ethan-1-amine (444643-11-2) → (S)-1-(4-Fluoro-phenyl)-ethylamine (66399-30-2)

Guidance literature:

With hydrogen; palladium on activated charcoal; In methanol; acetic acid; at 60 ℃; for 12h; under 3750.3 Torr;

DOI:10.1246/cl.2004.1424

Reference yield: 95.0%

1-(4-fluorophenyl)ethanone (403-42-9) → (S)-1-(4-Fluoro-phenyl)-ethylamine (66399-30-2)

Guidance literature:

1-(4-fluorophenyl)ethanone; With ammonium formate; In methanol; at 70 ℃; for 2.5h; Inert atmosphere;

With amine transaminase-117; sodium pyruvate; In methanol; at 20 ℃; for 24h; Darkness; Inert atmosphere; Enzymatic reaction;

Reference yield: 37.0%

isopropyl methoxyacetate (17640-21-0) + 1-(4-fluorophenyl)ethylamine (403-40-7) → 2-methoxy-N-[1-(4-fluorophenyl)ethyl]acetamide (1373832-85-9) + (S)-1-(4-Fluoro-phenyl)-ethylamine (66399-30-2)

Guidance literature:

With Novozym 435; at 23 ℃; for 3h; optical yield given as %ee; enantioselective reaction; Molecular sieve; Enzymatic reaction;

DOI:10.1016/j.tetasy.2012.02.008

upstream raw materials:

1-(4-fluorophenyl)ethylamine

1-(4-fluorophenyl)ethanone

(E)-1-(4-fluorophenyl)ethan-1-one oxime

(S)-1-phenyl-N-((S)-1-(4-(fluoro)phenyl)ethyl)ethan-1-amine

Downstream raw materials:

(4,6-Dichloro-[1,3,5]triazin-2-yl)-[(S)-1-(4-fluoro-phenyl)-ethyl]-amine

(S)-1-(1-(4-fluorophenyl)ethyl)-4-tosylpiperazine